CID 21935143

2243509-23-9

Structural Information

Molecular Formula

C₄H₁₀N₂O₂

SMILES

C(CN)COC(=O)N

InChI

InChI=1S/C4H10N2O2/c5-2-1-3-8-4(6)7/h1-3,5H2,(H2,6,7)

InChIKey

OUHPEQFMFIKJQZ-UHFFFAOYSA-N

Compound name

3-aminopropyl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 337
Patents: 118.07423 Da
Monoisotopic Mass: -1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	119.08151	123.3
[M+Na]+	141.06345	129.7
[M-H]-	117.06695	122.8
[M+NH4]+	136.10805	144.6
[M+K]+	157.03739	129.9
[M+H-H2O]+	101.07149	118.1
[M+HCOO]-	163.07243	148.2
[M+CH3COO]-	177.08808	172.7
[M+Na-2H]-	139.04890	128.4
[M]+	118.07368	121.5
[M]-	118.07478	121.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe